SCHEMBL2528482

SCHEMBL2528482

CN(CC(O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
GPR17 Q13304 8/20 0.40
TYMS P04818 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.37
P2RY2 P41231 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2528802 0.90 ALDH1A1 (0.47) KMT2AMEN1HPGDL3MBTL1AURKA
SCHEMBL2530793 0.86 F2 (0.37) MAPTGPR17F2
SCHEMBL2524960 0.85 ALDH1A1 (0.42) KMT2AMEN1HPGDL3MBTL1AURKA
SCHEMBL2528497 0.85 HTR6 (0.35) HPGDAURKARPS6KB1MAPTGPR17
SCHEMBL2532676 0.85 STS (0.36) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL2530411 0.85 MMP13 (0.36) KMT2AMEN1MAPT
SCHEMBL2529810 0.85 ALPL (0.45) MAPTLMNAALPLALPI
SCHEMBL2529218 0.84 TDP1 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2530920 0.84 AURKA (0.39) KMT2AMEN1HPGDL3MBTL1AURKA
SCHEMBL2532710 0.84 ENPP1 (0.41) KMT2AMEN1L3MBTL1LMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 ALOX5 282/4885KMT2A 2317/4885MEN1 1126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.